⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5002284 | 0.72 | — | — | |
| SCHEMBL15091718 | 0.69 | — | — | |
| SCHEMBL703167 | 0.69 | — | — | |
| Trifluoroethanol SCHEMBL28220131 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL8374957 | 0.67 | — | — | |
| SCHEMBL19210125 | 0.67 | — | — | |
| SCHEMBL13621419 | 0.65 | — | — | |
| SCHEMBL13621417 | 0.65 | — | — | |
| SCHEMBL1482778 | 0.63 | — | — | |
| SCHEMBL1472166 | 0.63 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865820-B2 | Fluorine-containing curable composition and rubber article | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-10-21 | — | — | US | disclosed |
| US-8492478-B2 | Curable perfluoropolyether gel composition and gel product produced by using cured perfluoropolyether gel composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-07-23 | — | — | US | disclosed |
| US-20120016081-A1 | CURABLE PERFLUOROPOLYETHER GEL COMPOSITION AND GEL PRODUCT PRODUCED BY USING CURED PERFLUOROPOLYETHER GEL COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |
| US-20110237732-A1 | FLUORINE-CONTAINING CURABLE COMPOSITION AND RUBBER ARTICLE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-09-29 | — | — | US | disclosed |